9-phenyl-10-phenylsulfanylphenanthrene

C26H18S — CID 102193992

IUPAC9-phenyl-10-phenylsulfanylphenanthrene
SMILESc1ccc(Sc2c(-c3ccccc3)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C26H18S/c1-3-11-19(12-4-1)25-23-17-9-7-15-21(23)22-16-8-10-18-24(22)26(25)27-20-13-5-2-6-14-20/h1-18H
InChIKeyKFHKAPBKFJXUEX-UHFFFAOYSA-N
MW362.50 g/mol
LogP7.81
Rot. Bonds3

About 9-phenyl-10-phenylsulfanylphenanthrene

9-phenyl-10-phenylsulfanylphenanthrene (PubChem CID 102193992) has the molecular formula C26H18S and a molecular weight of 362.50 g/mol. Its IUPAC name is 9-phenyl-10-phenylsulfanylphenanthrene.

Molecular Properties

Compound Name9-phenyl-10-phenylsulfanylphenanthrene
PubChem CID102193992
Molecular FormulaC26H18S
Molecular Weight362.50 g/mol
Exact Mass362.11
IUPAC Name9-phenyl-10-phenylsulfanylphenanthrene
SMILESc1ccc(Sc2c(-c3ccccc3)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C26H18S/c1-3-11-19(12-4-1)25-23-17-9-7-15-21(23)22-16-8-10-18-24(22)26(25)27-20-13-5-2-6-14-20/h1-18H
InChIKeyKFHKAPBKFJXUEX-UHFFFAOYSA-N
XLogP7.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-10-phenylsulfanylphenanthrene?
The IUPAC name of 9-phenyl-10-phenylsulfanylphenanthrene (CID 102193992) is 9-phenyl-10-phenylsulfanylphenanthrene.
What is the SMILES notation for 9-phenyl-10-phenylsulfanylphenanthrene?
The canonical SMILES for 9-phenyl-10-phenylsulfanylphenanthrene is c1ccc(Sc2c(-c3ccccc3)c3ccccc3c3ccccc23)cc1.
What is the InChIKey of 9-phenyl-10-phenylsulfanylphenanthrene?
The InChIKey is KFHKAPBKFJXUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18S/c1-3-11-19(12-4-1)25-23-17-9-7-15-21(23)22-16-8-10-18-24(22)26(25)27-20-13-5-2-6-14-20/h1-18H.
What are the key properties of 9-phenyl-10-phenylsulfanylphenanthrene?
9-phenyl-10-phenylsulfanylphenanthrene has a molecular weight of 362.50 g/mol, XLogP of 7.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-10-phenylsulfanylphenanthrene is sourced from PubChem (CID 102193992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).